BDBM50171125 CHEMBL371004::Naphthalene-2-carboxylic acid {(S)-5-(3-fluoro-benzoyl)-1-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-[1,5]diazocan-3-yl}-amide

SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)c1cccc(F)c1

InChI Key: InChIKey=LEKLHDBVCHIYNK-WHQCUXSLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171125   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-8 (Homo sapiens (Human))	BDBM50171125 (CHEMBL371004 | Naphthalene-2-carboxylic acid {(S)-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C30H29FN4O7/c31-22-8-3-7-21(14-22)28(39)34-11-4-12-35(17-25(36)32-23-15-26(37)42-30(23)41)29(40)24(16-34)33-27(38)20-10-9-18-5-1-2-6-19(18)13-20/h1-3,5-10,13-14,23-24,30,41H,4,11-12,15-17H2,(H,32,36)(H,33,38)/t23-,24-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4291-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.050 BindingDB Entry DOI: 10.7270/Q2J103ZQ
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50171125 (CHEMBL371004 | Naphthalene-2-carboxylic acid {(S)-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C30H29FN4O7/c31-22-8-3-7-21(14-22)28(39)34-11-4-12-35(17-25(36)32-23-15-26(37)42-30(23)41)29(40)24(16-34)33-27(38)20-10-9-18-5-1-2-6-19(18)13-20/h1-3,5-10,13-14,23-24,30,41H,4,11-12,15-17H2,(H,32,36)(H,33,38)/t23-,24-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4291-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.050 BindingDB Entry DOI: 10.7270/Q2J103ZQ
					More data for this Ligand-Target Pair